Task 38681738

Name test_375-GPUGRID_TEST_ATM_40STEP_20261023-28-40-RND8953_0
Workunit 31623391
Created 27 Oct 2026, 5:10:00 UTC
Sent 27 Oct 2026, 5:10:03 UTC
Report deadline 1 Nov 2026, 5:10:03 UTC
Received 27 Oct 2026, 7:42:59 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 625378
Run time 1 hours 10 min 49 sec
CPU time 1 hours 3 min 3 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 14,564.90 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 743.55 MB
Peak swap size 12.91 GB
Peak disk usage 4.04 GB

Stderr output

<core_client_version>8.2.4</core_client_version>
<![CDATA[
<stderr_txt>
00:35:03 (27260): wrapper (7.9.26016): starting
00:35:03 (27260): wrapper: running Library/usr/bin/tar.exe (xjvf input.tar.bz2)
QB_A34_A12_0.pdb
QB_A34_A12_0.xml
QB_A34_A12_input.yaml
QB_A34_A12.pdb
QB_A34_A12.prmtop
QB_A34_A12_sys.xml
run.bat
run.sh
00:35:04 (27260): Library/usr/bin/tar.exe exited; CPU time 0.000000
00:35:04 (27260): wrapper: running C:/Windows/system32/cmd.exe (/c call Scripts\activate.bat && Scripts\conda-unpack.exe && run.bat)
  WARNING: The script pyaml.exe is installed in 'C:\ProgramData\BOINC\slots\0\Scripts' which is not on PATH.
  Consider adding this directory to PATH or, if you prefer to suppress this warning, use --no-warn-script-location.
  WARNING: The scripts abfe_production.exe, abfe_structprep.exe, make_atm_system_from_amber.exe, make_atm_system_from_pdb.exe, make_atm_system_from_rcpt_lig.exe, rbfe_production.exe and rbfe_structprep.exe are installed in 'C:\ProgramData\BOINC\slots\0\Scripts' which is not on PATH.
  Consider adding this directory to PATH or, if you prefer to suppress this warning, use --no-warn-script-location.
Warning: importing 'simtk.openmm' is deprecated.  Import 'openmm' instead.
tar: run.log: file changed as we read it
tar: r*/*.dcd: Cannot stat: No such file or directory
tar: r*/*.xtc: Cannot stat: No such file or directory
tar: Exiting with failure status due to previous errors
01:42:26 (27260): C:/Windows/system32/cmd.exe exited; CPU time 3783.671875
01:42:26 (27260): called boinc_finish(0)
0 bytes in 0 Free Blocks.
496 bytes in 8 Normal Blocks.
1144 bytes in 1 CRT Blocks.
0 bytes in 0 Ignore Blocks.
0 bytes in 0 Client Blocks.
Largest number used: 0 bytes.
Total allocations: 73293637 bytes.
Dumping objects ->
{3835871} normal block at 0x00000207FC68EA60, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835860} normal block at 0x00000207FA845BE0, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835849} normal block at 0x00000207FA845B70, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835838} normal block at 0x00000207FA845A90, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835827} normal block at 0x00000207FA845710, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835796} normal block at 0x00000207FC5F7D70, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835785} normal block at 0x00000207FA86A7D0, 120 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
..\api\boinc_api.cpp(309) : {3835782} normal block at 0x00000207FA840580, 8 bytes long.
 Data: <  &#211;&#250;    > 00 00 D3 FA 07 02 00 00 
{3834849} normal block at 0x00000207FA86A590, 120 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833971} normal block at 0x00000207FA8402B0, 8 bytes long.
 Data: <&#224;&#221;&#145;&#250;    > E0 DD 91 FA 07 02 00 00 
..\zip\boinc_zip.cpp(122) : {317} normal block at 0x00000207FA8426C0, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{302} normal block at 0x00000207FA836AD0, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{301} normal block at 0x00000207FA846B40, 16 bytes long.
 Data: <hr&#132;&#250;            > 68 72 84 FA 07 02 00 00 00 00 00 00 00 00 00 00 
{300} normal block at 0x00000207FA846410, 16 bytes long.
 Data: <@r&#132;&#250;            > 40 72 84 FA 07 02 00 00 00 00 00 00 00 00 00 00 
{299} normal block at 0x00000207FA83E440, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{298} normal block at 0x00000207FA8468C0, 16 bytes long.
 Data: < r&#132;&#250;            > 18 72 84 FA 07 02 00 00 00 00 00 00 00 00 00 00 
{297} normal block at 0x00000207FA846820, 16 bytes long.
 Data: <&#240;q&#132;&#250;            > F0 71 84 FA 07 02 00 00 00 00 00 00 00 00 00 00 
{296} normal block at 0x00000207FA846870, 16 bytes long.
 Data: <&#200;q&#132;&#250;            > C8 71 84 FA 07 02 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x00000207FA846140, 16 bytes long.
 Data: <&#160;q&#132;&#250;            > A0 71 84 FA 07 02 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x00000207FA845780, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{293} normal block at 0x00000207FA8467D0, 16 bytes long.
 Data: <h&#189;&#130;&#250;            > 68 BD 82 FA 07 02 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x00000207FA83E3E0, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{291} normal block at 0x00000207FA846230, 16 bytes long.
 Data: <@&#189;&#130;&#250;            > 40 BD 82 FA 07 02 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x00000207FA8460A0, 16 bytes long.
 Data: < &#189;&#130;&#250;            > 18 BD 82 FA 07 02 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x00000207FA846050, 16 bytes long.
 Data: <&#240;&#188;&#130;&#250;            > F0 BC 82 FA 07 02 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x00000207FA846320, 16 bytes long.
 Data: <&#200;&#188;&#130;&#250;            > C8 BC 82 FA 07 02 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x00000207FA846AA0, 16 bytes long.
 Data: <&#160;&#188;&#130;&#250;            > A0 BC 82 FA 07 02 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x00000207FA846000, 16 bytes long.
 Data: <x&#188;&#130;&#250;            > 78 BC 82 FA 07 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x00000207FA83DBA0, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{283} normal block at 0x00000207FA845DD0, 16 bytes long.
 Data: <P&#188;&#130;&#250;            > 50 BC 82 FA 07 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x00000207FA82BC50, 320 bytes long.
 Data: <&#208;]&#132;&#250;    &#160;&#219;&#131;&#250;    > D0 5D 84 FA 07 02 00 00 A0 DB 83 FA 07 02 00 00 
{281} normal block at 0x00000207FA846AF0, 16 bytes long.
 Data: < q&#132;&#250;            > 80 71 84 FA 07 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x00000207FA846C30, 16 bytes long.
 Data: <Xq&#132;&#250;            > 58 71 84 FA 07 02 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x00000207FA83DF60, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{278} normal block at 0x00000207FA8462D0, 16 bytes long.
 Data: <0q&#132;&#250;            > 30 71 84 FA 07 02 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x00000207FA83DF00, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{276} normal block at 0x00000207FA8460F0, 16 bytes long.
 Data: <xp&#132;&#250;            > 78 70 84 FA 07 02 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x00000207FA8463C0, 16 bytes long.
 Data: <Pp&#132;&#250;            > 50 70 84 FA 07 02 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x00000207FA846370, 16 bytes long.
 Data: <(p&#132;&#250;            > 28 70 84 FA 07 02 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x00000207FA846BE0, 16 bytes long.
 Data: < p&#132;&#250;            > 00 70 84 FA 07 02 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x00000207FA845FB0, 16 bytes long.
 Data: <&#216;o&#132;&#250;            > D8 6F 84 FA 07 02 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x00000207FA846690, 16 bytes long.
 Data: <&#176;o&#132;&#250;            > B0 6F 84 FA 07 02 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x00000207FA846780, 16 bytes long.
 Data: <`X&#132;&#250;            > 60 58 84 FA 07 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x00000207FA845860, 40 bytes long.
 Data: < g&#132;&#250;    p}_&#252;    > 80 67 84 FA 07 02 00 00 70 7D 5F FC 07 02 00 00 
{267} normal block at 0x00000207FA846A50, 16 bytes long.
 Data: < o&#132;&#250;            > 90 6F 84 FA 07 02 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x00000207FA845E70, 16 bytes long.
 Data: <ho&#132;&#250;            > 68 6F 84 FA 07 02 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x00000207FA83E080, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{264} normal block at 0x00000207FA846460, 16 bytes long.
 Data: <@o&#132;&#250;            > 40 6F 84 FA 07 02 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x00000207FA846F40, 992 bytes long.
 Data: <`d&#132;&#250;     &#224;&#131;&#250;    > 60 64 84 FA 07 02 00 00 80 E0 83 FA 07 02 00 00 
{99} normal block at 0x00000207FA83DB40, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{98} normal block at 0x00000207FA8409E0, 16 bytes long.
 Data: < &#219;&#130;&#250;            > 10 DB 82 FA 07 02 00 00 00 00 00 00 00 00 00 00 
{97} normal block at 0x00000207FA82DB10, 40 bytes long.
 Data: <&#224;	&#132;&#250;    @&#219;&#131;&#250;    > E0 09 84 FA 07 02 00 00 40 DB 83 FA 07 02 00 00 
{76} normal block at 0x00000207FA83FC70, 16 bytes long.
 Data: < &#234;&#135;>&#247;           > 80 EA 87 3E F7 7F 00 00 00 00 00 00 00 00 00 00 
{75} normal block at 0x00000207FA83FC20, 16 bytes long.
 Data: <@&#233;&#135;>&#247;           > 40 E9 87 3E F7 7F 00 00 00 00 00 00 00 00 00 00 
{74} normal block at 0x00000207FA840940, 16 bytes long.
 Data: <&#248;W&#132;>&#247;           > F8 57 84 3E F7 7F 00 00 00 00 00 00 00 00 00 00 
{73} normal block at 0x00000207FA840A80, 16 bytes long.
 Data: <&#216;W&#132;>&#247;           > D8 57 84 3E F7 7F 00 00 00 00 00 00 00 00 00 00 
{72} normal block at 0x00000207FA83FCC0, 16 bytes long.
 Data: <P &#132;>&#247;           > 50 04 84 3E F7 7F 00 00 00 00 00 00 00 00 00 00 
{71} normal block at 0x00000207FA8401C0, 16 bytes long.
 Data: <0 &#132;>&#247;           > 30 04 84 3E F7 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x00000207FA83FFE0, 16 bytes long.
 Data: <&#224; &#132;>&#247;           > E0 02 84 3E F7 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x00000207FA840530, 16 bytes long.
 Data: <  &#132;>&#247;           > 10 04 84 3E F7 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x00000207FA83FEF0, 16 bytes long.
 Data: <p &#132;>&#247;           > 70 04 84 3E F7 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x00000207FA840670, 16 bytes long.
 Data: < &#192;&#130;>&#247;           > 18 C0 82 3E F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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